Geometry & MOs

Info

ID:	245178
PubChem CID:	99437770
Reduced:	SN4O4C25H34 (1)
Stoich.:	AB4C4D25E34 (1)
Weight, g/mol:	410.152495
ΔH_f, kcal/mol:	-133.07
Dipole, Da:	6.81
IP(EA), eV:	-8.16(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[3-(phenylcarbamoylamino)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)NC3=CC=C(C=C3)NC4CCOCC4

DOS

IR

Vibrations